SCHEMBL12134652

SCHEMBL12134652

Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(C(=N)N3CC3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.57
RXFP1 Q9HBX9 1/20 0.54
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
CYP2C19 P33261 1/20 0.51
ABCB1 P08183 1/20 0.51
ABCG2 Q9UNQ0 1/20 0.51
NPSR1 Q6W5P4 2/20 0.50
POLB P06746 2/20 0.50
TSHR P16473 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13349226 0.95 F10 (0.61) F10RXFP1NPC1RAB9AMAPT
SCHEMBL13348874 0.95 F10 (0.61) F10RXFP1NPC1RAB9AMAPT
SCHEMBL13348898 0.94 F10 (0.62) F10RXFP1NPC1RAB9AMAPT
SCHEMBL10178347 0.88 F10 (0.69) F10RXFP1ALDH1A1NPSR1MEN1
SCHEMBL13348734 0.87 RXFP1 (0.48) F10RXFP1NPC1RAB9AMAPT
SCHEMBL10181761 0.84 MAPT (0.47) F10NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL10146706 0.84 F10 (0.61) F10NPC1RAB9ASMN1; SMN2CYP2C19
SCHEMBL10178908 0.84 F10 (0.76) F10RXFP1MEN1KMT2A
SCHEMBL10180912 0.84 F10 (0.76) F10RXFP1MEN1KMT2A
SCHEMBL13349171 0.83 F10 (0.49) F10RXFP1NPC1RAB9AMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063036-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-22 US disclosed
US-20100298284-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. 2010-11-25 US disclosed
US-7727981-B2 monoamidino-containing compounds having good bioavailability and/or solubility, used as potent and specific inhibitors of blood coagulation in mammals, and as therapeutic agents for disease states characterized by coagulation disorders MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-20090131411-A1 monoamidino-containing compounds having good bioavailability and/or solubility, used as potent and specific inhibitors of blood coagulation in mammals, and as therapeutic agents for disease states characterized by coagulation disorders MILLENNIUM PHARMACEUTICALS, INC. 2009-05-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090131411-A1 monoamidino-containing compounds having good bioavailability and/or solubility, used as potent and specific inhibitors of blood coagulation in mammals, and as therapeutic agents for disease states characterized by coagulation disorders F12, F2, PIGS F10 19/4885RXFP1 1869/4885NPC1 2404/4885
US-20100298284-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 F10 13/4885RXFP1 1445/4885NPC1 2184/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.